2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone

C15H22N4O2 — CID 107375243

IUPAC2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCOC3CCCCC32)cn1
InChIInChI=1S/C15H22N4O2/c1-2-16-14-10-17-11(9-18-14)15(20)19-7-8-21-13-6-4-3-5-12(13)19/h9-10,12-13H,2-8H2,1H3,(H,16,18)
InChIKeySQTXGDRZJSJLJW-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.69
Rot. Bonds3

About 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone

2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone (PubChem CID 107375243) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone.

Molecular Properties

Compound Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
PubChem CID107375243
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone
SMILESCCNc1cnc(C(=O)N2CCOC3CCCCC32)cn1
InChIInChI=1S/C15H22N4O2/c1-2-16-14-10-17-11(9-18-14)15(20)19-7-8-21-13-6-4-3-5-12(13)19/h9-10,12-13H,2-8H2,1H3,(H,16,18)
InChIKeySQTXGDRZJSJLJW-UHFFFAOYSA-N
XLogP1.69
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazine-4-carbonyl)pyrazine-2-carboxylic acid
CID 120685131
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(5-chloropyrazin-2-yl)methanone
CID 103803711
(2,2-dimethylpyrrolidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375601
[5-(ethylamino)pyrazin-2-yl]-(4-methylazepan-1-yl)methanone
CID 107375687
(2-ethylpiperidin-1-yl)-[5-(oxolan-2-ylmethylamino)pyrazin-2-yl]methanone
CID 109276987
[5-(ethylamino)pyrazin-2-yl]-(3-ethylpiperidin-1-yl)methanone
CID 107374588
(3,4-dimethylpiperidin-1-yl)-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107376989
[5-(ethylamino)pyrazin-2-yl]-[3-(hydroxymethyl)piperidin-1-yl]methanone
CID 107373865
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-(6-hydrazinylpyridazin-3-yl)methanone
CID 62242764
1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepin-2-yl-[5-(ethylamino)pyrazin-2-yl]methanone
CID 107375576
5-(ethylamino)-N-methyl-N-(oxan-2-ylmethyl)pyrazine-2-carboxamide
CID 107374782
[(4aR,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 129370154

Frequently Asked Questions

What is the IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The IUPAC name of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone (CID 107375243) is 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone.
What is the SMILES notation for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The canonical SMILES for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone is CCNc1cnc(C(=O)N2CCOC3CCCCC32)cn1.
What is the InChIKey of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
The InChIKey is SQTXGDRZJSJLJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-16-14-10-17-11(9-18-14)15(20)19-7-8-21-13-6-4-3-5-12(13)19/h9-10,12-13H,2-8H2,1H3,(H,16,18).
What are the key properties of 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone?
2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone has a molecular weight of 290.37 g/mol, XLogP of 1.69, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl-[5-(ethylamino)pyrazin-2-yl]methanone is sourced from PubChem (CID 107375243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).